xpectra.carbonyl_index

xpectra.carbonyl_index(X, wavenumbers, carbonyl=(1650.0, 1800.0), ref=(1420.0, 1470.0), mode='area', renormalize=True)

C=O band relative to the CH2-scissoring reference band.

The default bands match TrustConfig.carbonyl_band / reference_band so every call site uses one band definition unless overridden explicitly.

With renormalize=True (default), each spectrum is min-max scaled to [0, 1] first so the band areas are non-negative and the ratio is stable on moments-normalized data. See module docstring for the within-class caveat.

Parameters:

• X (ndarray)

• wavenumbers (ndarray)

• carbonyl (tuple[float, float])

• ref (tuple[float, float])

• mode (str)

• renormalize (bool)

Return type:

ndarray